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3-(p-Chlorobenzoyl)-6-methoxy-2-methylindole-1-acetic acid, methyl ester

View entire compound with spectra: 2 NMR

3-(p-Chlorobenzoyl)-6-methoxy-2-methylindole-1-acetic acid, methyl ester
SpectraBase Compound ID 3OR0yiow7AT
InChI InChI=1S/C20H18ClNO4/c1-12-19(20(24)13-4-6-14(21)7-5-13)16-9-8-15(25-2)10-17(16)22(12)11-18(23)26-3/h4-10H,11H2,1-3H3
InChIKey IDJGAZRWQROTQO-UHFFFAOYSA-N
Mol Weight 371.82 g/mol
Molecular Formula C20H18ClNO4
Exact Mass 371.092436 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HbfxW9ZrynI
Name 3-(p-Chlorobenzoyl)-6-methoxy-2-methylindole-1-acetic acid, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 371.092435760 u
Formula C20H18ClNO4
InChI InChI=1S/C20H18ClNO4/c1-12-19(20(24)13-4-6-14(21)7-5-13)16-9-8-15(25-2)10-17(16)22(12)11-18(23)26-3/h4-10H,11H2,1-3H3
InChIKey IDJGAZRWQROTQO-UHFFFAOYSA-N
Molecular Weight 371.820 g/mol
SMILES C=12C=CC(=CC1N(C(=C2C(C=1C=CC(=CC1)Cl)=O)C)CC(OC)=O)OC